1-(2-diethylaminoethylamino)-4-nitro-thioxanthen-9-one

Systemtic Name: 1-(2-diethylaminoethylamino)-4-nitro-thioxanthen-9-one Openeye Name: 1-(2-diethylaminoethylamino)-4-nitro-thioxanthen-9-one CAS Name: 1-(2-diethylaminoethylamino)-4-nitro-9-thioxanthenone IUPAC Name: 1-(2-diethylaminoethylamino)-4-nitrothioxanthen-9-one Traditional Name: 1-(2-diethylaminoethylamino)-4-nitro-thioxanthen-9-one Formula: C19H21N3O3S MolecularWeight: 371.45334

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC1=C2C(=C(C=C1)[N+](=O)[O-])SC3=CC=CC=C3C2=O

Isomeric SMILES

CCN(CC)CCNC1=C2C(=C(C=C1)[N+](=O)[O-])SC3=CC=CC=C3C2=O

InChI

InChI=1S/C19H21N3O3S/c1-3-21(4-2)12-11-20-14-9-10-15(22(24)25)19-17(14)18(23)13-7-5-6-8-16(13)26-19/h5-10,20H,3-4,11-12H2,1-2H3